Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50184748'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA polymerase beta (Homo sapiens (Human))	BDBM50184748 ((2S,3S,4R)-methyl 2-ethyl-4-hydroxy-5-(2-oxononade...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C=C1[C@H](O)[C@H]([C@H](CC)N1CCc1ccccc1)C(=O)OC |w:19.18| Show InChI InChI=1S/C35H57NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30(37)28-32-34(38)33(35(39)40-3)31(5-2)36(32)27-26-29-23-20-19-21-24-29/h19-21,23-24,28,31,33-34,38H,4-18,22,25-27H2,1-3H3/t31-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
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